3-[[(4-fluorophenyl)methyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4-fluorophenyl)methyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-fluorophenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(4-fluorobenzyl)-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C24H30FN4OS+ MolecularWeight: 441.584603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C24H29FN4OS/c1-17-5-10-22-19(13-17)14-20(23(30)27-22)16-29(15-18-6-8-21(25)9-7-18)24(31)26-11-4-12-28(2)3/h5-10,13-14H,4,11-12,15-16H2,1-3H3,(H,26,31)(H,27,30)/p+1